(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone

C20H18N2O2S — CID 11842439

IUPAC(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2cccnc2)c(N2CCOCC2)s1
InChIInChI=1S/C20H18N2O2S/c23-19(15-5-2-1-3-6-15)18-13-17(16-7-4-8-21-14-16)20(25-18)22-9-11-24-12-10-22/h1-8,13-14H,9-12H2
InChIKeyMRYRGKGPWCIAMK-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.88
Rot. Bonds4

About (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone

(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone (PubChem CID 11842439) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
PubChem CID11842439
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2cccnc2)c(N2CCOCC2)s1
InChIInChI=1S/C20H18N2O2S/c23-19(15-5-2-1-3-6-15)18-13-17(16-7-4-8-21-14-16)20(25-18)22-9-11-24-12-10-22/h1-8,13-14H,9-12H2
InChIKeyMRYRGKGPWCIAMK-UHFFFAOYSA-N
XLogP3.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
CID 69026448
(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
CID 1485941
(5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-nitrophenyl)methanone
CID 71518781
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
CID 46953657
methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate
CID 110237373
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-methyl-5-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 110237381
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398

Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone?
The IUPAC name of (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone (CID 11842439) is (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone?
The canonical SMILES for (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(-c2cccnc2)c(N2CCOCC2)s1.
What is the InChIKey of (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone?
The InChIKey is MRYRGKGPWCIAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-19(15-5-2-1-3-6-15)18-13-17(16-7-4-8-21-14-16)20(25-18)22-9-11-24-12-10-22/h1-8,13-14H,9-12H2.
What are the key properties of (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone?
(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone has a molecular weight of 350.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 11842439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).